General Information of the Compound
| Compound ID |
CP0449735
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| Compound Name |
(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
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| Structure |
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| Formula |
C19H17F2N3OS
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| Molecular Weight |
373.428
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| Canonical SMILES |
FC1(F)CCN(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C19H17F2N3OS/c20-19(21)9-11-24(13-19)18(25)23-10-8-15-16(12-23)26-17(22-15)7-6-14-4-2-1-3-5-14/h1-5H,8-13H2
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| InChIKey |
FXGSFYZZIHCOQJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound